3-[[5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-1,2-dihydropyrrol-4-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-1,2-dihydropyrrol-4-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(2-benzyl-5-hydroxy-3-oxo-1,2-dihydropyrrol-4-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-hydroxy-3-oxo-2-(phenylmethyl)-1,2-dihydropyrrol-4-yl]thio]methyl]benzonitrile IUPAC Name: 3-[(2-benzyl-5-hydroxy-3-oxo-1,2-dihydropyrrol-4-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-benzyl-2-hydroxy-4-keto-2-pyrrolin-3-yl)thio]methyl]benzonitrile Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)C(=C(N2)O)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)C(=C(N2)O)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H16N2O2S/c20-11-14-7-4-8-15(9-14)12-24-18-17(22)16(21-19(18)23)10-13-5-2-1-3-6-13/h1-9,16,21,23H,10,12H2